SCHEMBL2299463

SCHEMBL2299463

CCCCOc1ccc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
TSHR P16473 2/20 0.41
CA7 P43166 2/20 0.41
PDIA6 Q15084 1/20 0.39
XDH P47989 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PABPC1 P11940 1/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.36
F10 P00742 1/20 0.36
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2305006 0.97 PDIA6 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL2305813 0.90 GPR84 (0.38) TSHRXDHGPR84PABPC1MAPK1
SCHEMBL2301170 0.87 CA2 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL2301153 0.86 CA1 (0.43) CA12CA1CA2CA9CA7
SCHEMBL2300334 0.86 MAPT (0.35) CA12CA1CA2CA9CA7
SCHEMBL2301951 0.86 CA2 (0.41) CA12CA1CA2CA9GPR84
SCHEMBL2300359 0.85 CA2 (0.41) CA12CA1CA2CA9TSHR
SCHEMBL2237662 0.82 PTGS2 (0.37) CA12CA1CA2CA9PTGS2
SCHEMBL2300517 0.81 PTGS2 (0.41) CA12CA1CA2CA9CA7
SCHEMBL2302962 0.81 CTDSP1 (0.40) TSHRRECQLALDH1A1PTGS2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed